4-Propylpyridine
Properties
- Molecular formula
- C8H11N
- Molar mass
- 121.18 g/mol
- Exact mass
- 121.0891 Da
- Density
- 0.925 g/mL (at 20 °C)
- Melting point
- 131–131.6 °C
- Boiling point
- 185 °C
- logP
- 2.03Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage97.5% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1122-81-2SMILES
CCCc1ccncc1InChIKey
JAWZAONCXMJLFT-UHFFFAOYSA-NInChI
InChI=1S/C8H11N/c1-2-3-8-4-6-9-7-5-8/h4-7H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Pyridine, 4-propyl-
- 1-(4-Pyridyl)propane
- 4-n-Propylpyridine
- NSC 967
Work with 4-Propylpyridine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,2-Bis(4-pyridyl)ethane4916-57-863 % similar
4-Ethylpyridine536-75-459 % similar
1,3-Bis(4′-pyridyl)propane17252-51-657 % similar
n-Propylbenzene103-65-155 % similar
4-Pyridineethanamine13258-63-450 % similar
4-(3-Phenylpropyl)pyridine2057-49-050 % similar
4-Pyridineethanol5344-27-450 % similar
N-Methyl-4-pyridineethanamine55496-55-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.